NP-MRD: Browsing natural products

NP-MRD ID
CAS Number Compound Name Species of Origin Chemical Structure Chemical Formula
Average Mass
Monoisotopic Mass NMR Spectra

NP0073983

(-)-Aesculioside IVa

Aesculus pavia

C₅₇H₉₀O₂₃

1143.3240 Da
1142.58729 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0033948

xanifolia Y7

Xanthoceras sorbifolium

C₅₇H₉₀O₂₃

1143.3240 Da
1142.58729 Da

¹³C NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 1000 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 1000 MHz, C₅D₅N, simulated)

NP0068751

Celogentin F

Celosia argentea

C₅₃H₇₈N₁₈O₁₁

1143.3220 Da
1142.60975 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0022586

WF11899C

Coleophoma
Coleophoma empetri

C₅₁H₈₂N₈O₁₉S

1143.3100 Da
1142.54169 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0323342

3,5-bis(acetyloxy)-2-[3,5-bis(acetyloxy)-4-[3,5-bis(acetyloxy)-4-[3,5-bis(acetyloxy)-4-[3,4,5-tris(acetyloxy)phenoxy]phenoxy]phenoxy]phenoxy]phenyl acetate

Carpophyllum maschalocarpum

C₅₄H₄₆O₂₈

1142.9340 Da
1142.21756 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0306193

3,5-bis(acetyloxy)-2-[3,5-bis(acetyloxy)-4-[3,5-bis(acetyloxy)-2-[3,5-bis(acetyloxy)-4-[3,4,5-tris(acetyloxy)phenoxy]phenoxy]phenoxy]phenoxy]phenyl acetate

Carpophyllum maschalocarpum

C₅₄H₄₆O₂₈

1142.9340 Da
1142.21756 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0201895

4-(acetyloxy)-2,6-bis[2,6-bis(acetyloxy)-4-[2,4,6-tris(acetyloxy)phenoxy]phenoxy]phenyl acetate

Chorda filum

C₅₄H₄₆O₂₈

1142.9340 Da
1142.21756 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0077953

Fucotriphlorethol-B dodeca-acetate

Cystophora retroflexa

C₅₄H₄₆O₂₈

1142.9340 Da
1142.21756 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0284703

3-oxo-3-({3,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[4-methyl-12-(n'-methylcarbamimidamido)dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-5-yl}oxy)propanoic acid

Not Available

C₅₉H₁₀₃N₃O₁₈

1142.4760 Da
1141.72366 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0269129

3-oxo-3-{[(10z,12z,20z)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,24,26-hexamethyl-15-[(8e)-4-methyl-12-(n-methylcarbamimidamido)dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy}propanoic acid

Streptomyces hygroscopicus

C₅₉H₁₀₃N₃O₁₈

1142.4760 Da
1141.72366 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0200975

3-oxo-3-{[(10e,12z,20e)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(8e)-4-methyl-12-(n'-methylcarbamimidamido)dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy}propanoic acid

Streptomyces hygroscopicus

C₅₉H₁₀₃N₃O₁₈

1142.4760 Da
1141.72366 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0189599

3-oxo-3-{[(10e,12e,20e)-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(2s,4s,8e)-4-methyl-12-(n'-methylcarbamimidamido)dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy}propanoic acid

Not Available

C₅₉H₁₀₃N₃O₁₈

1142.4760 Da
1141.72366 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0062302

Nificin

Streptomyces hygroscopicus var. enhygrus var. nov.

C₅₉H₁₀₃N₃O₁₈

1142.4760 Da
1141.72366 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0017453

Niphimycin C

Streptomyces sp. IMB7-145

C₅₉H₁₀₃N₃O₁₈

1142.4760 Da
1141.72366 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0061672

Plusbacin B4

Pseudomonas sp. PB-6250 (FERM BP-2938)

C₅₀H₈₃N₁₁O₁₉

1142.2720 Da
1141.58667 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0061671

Plusbacin B3

Pseudomonas sp. PB-6250 (FERM BP-2938)

C₅₀H₈₃N₁₁O₁₉

1142.2720 Da
1141.58667 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0087674

Chenodeoxyglycocholoyl-CoA

Anas platyrhynchos
Anatidae
Anser anser
Bison bison
Bos taurus X Bison bison
Bos taurus
Bubalus bubalis
Capra aegagrus hircus
Cervidae
Cervus canadensis
Columba
Columbidae
Dromaius novaehollandiae
Equus caballus
Gallus gallus
Lagopus muta
Leporidae
Lepus timidus
Melanitta fusca
Meleagris gallopavo
Numida meleagris
Odocoileus
Oryctolagus
Ovis aries
Phasianidae
Phasianus colchicus
Struthio camelus
Sus scrofa
Sus scrofa domestica
(show all show less)

C₄₅H₇₄N₇O₁₉P₃S

1142.0910 Da
1141.39730 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0087486

Chenodeoxycholoyl-CoA

Anas platyrhynchos
Anatidae
Anser anser
Bison bison
Bos taurus X Bison bison
Bos taurus
Bubalus bubalis
Capra aegagrus hircus
Cervidae
Cervus canadensis
Columba
Columbidae
Dromaius novaehollandiae
Equus caballus
Gallus gallus
Lagopus muta
Leporidae
Lepus timidus
Melanitta fusca
Meleagris gallopavo
Numida meleagris
Odocoileus
Oryctolagus
Ovis aries
Phasianidae
Phasianus colchicus
Struthio camelus
Sus scrofa
Sus scrofa domestica
(show all show less)

C₄₅H₇₄N₇O₁₉P₃S

1142.0910 Da
1141.39730 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0060957

Delphinidin 3-(diferuloyl)sophoroside-5-glucoside

Ajuga reptans

C₅₃H₅₇O₂₈

1142.0100 Da
1141.30309 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0003852

Polymyxin Nva-E1

Bacillus

C₅₁H₉₆N₁₆O₁₃

1141.4280 Da
1140.73428 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0003849

Polymyxin E4

Bacillus

C₅₁H₉₆N₁₆O₁₃

1141.4280 Da
1140.73428 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0184310

n-{6,19-dihydroxy-2,12,15,25-tetramethyl-11,24-bis[(methylsulfanyl)methyl]-3,10,13,16,23,26-hexaoxo-20-(quinoline-2-amido)-9,22,28,29-tetrathia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triaconta-5,18-dien-7-yl}-3-hydroxyquinoline-2-carboxamide

Not Available

C₄₈H₅₆N₁₀O₁₁S₆

1141.4000 Da
1140.24543 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0010169

22'-Deoxythiocoraline

Verrucosispora sp.

C₄₈H₅₆N₁₀O₁₁S₆

1141.4000 Da
1140.24543 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0085126

C-CTX 1

Caranx latus

C₆₂H₉₂O₁₉

1141.3990 Da
1140.62328 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0003933

Ammocidin A

Saccharothrix

C₅₉H₉₆O₂₁

1141.3960 Da
1140.64441 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

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